3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

C18H20BrN3O — CID 86263577

IUPAC3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C18H20BrN3O/c19-16-3-1-2-15(12-16)18(23)21-13-14-6-10-22(11-7-14)17-4-8-20-9-5-17/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,21,23)
InChIKeyQSXUZEJULOPADZ-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.49
Rot. Bonds4

About 3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 86263577) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
PubChem CID86263577
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C18H20BrN3O/c19-16-3-1-2-15(12-16)18(23)21-13-14-6-10-22(11-7-14)17-4-8-20-9-5-17/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,21,23)
InChIKeyQSXUZEJULOPADZ-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (CID 86263577) is 3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is O=C(NCC1CCN(c2ccncc2)CC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is QSXUZEJULOPADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-16-3-1-2-15(12-16)18(23)21-13-14-6-10-22(11-7-14)17-4-8-20-9-5-17/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,21,23).
What are the key properties of 3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 374.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 86263577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).